1.0 2010-04-08 22:07:04 UTC 2025-11-18 23:01:27 UTC FDB006279 Salicylic acid 2-beta-D-glucoside Salicylic acid 2-beta-d-glucoside, also known as 2-O-β-glucopyranosylsalicylic acid or sag, is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Salicylic acid 2-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Salicylic acid 2-beta-d-glucoside can be found in common thyme, rosemary, sweet basil, and sweet marjoram, which makes salicylic acid 2-beta-d-glucoside a potential biomarker for the consumption of these food products. C13H15O8 299.256 299.077241023 2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate 2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate [H][C@]1(CO)O[C@@]([H])(OC2=CC=CC=C2C([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/p-1/t8-,9-,10+,11-,13-/m1/s1 TZPBMNKOLMSJPF-BZNQNGANSA-M belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Benzoic acids Benzoyl derivatives Carboxylic acids Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic anions Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Secondary alcohols Sugar acids and derivatives Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Hexose monosaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic anion Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Sugar acid logp -0.88 ALOGPS logs -0.74 ALOGPS solubility 5.76e+01 g/l ALOGPS logp -0.94 ChemAxon pka_strongest_acidic 3.65 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate ChemAxon average_mass 299.256 ChemAxon mono_mass 299.077241023 ChemAxon smiles [H][C@]1(CO)O[C@@]([H])(OC2=CC=CC=C2C([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O ChemAxon formula C13H15O8 ChemAxon inchi InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/p-1/t8-,9-,10+,11-,13-/m1/s1 ChemAxon inchikey TZPBMNKOLMSJPF-BZNQNGANSA-M ChemAxon polar_surface_area 139.51 ChemAxon refractivity 78.28 ChemAxon polarizability 27.38 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::MsMs 100872 Specdb::MsMs 100873 Specdb::MsMs 100874 Specdb::MsMs 166329 Specdb::MsMs 166330 Specdb::MsMs 166331 Common thyme Type 1 specific Thymus vulgaris 49992 Rosemary Type 1 specific Rosmarinus officinalis 39367 Sweet basil Type 1 specific Ocimum basilicum 39350 Sweet marjoram Type 1 specific Origanum majorana 268884